Data for “Hydrogen isotope behavior during rhyolite glass hydration under hydrothermal conditions”

Hydrogen isotope behavior during rhyolite glass hydration under hydrothermal conditions
Michael R. Hudak(1,2)*, Ilya N. Bindeman(1), James M. Watkins(1), and Jacob B. Lowenstern(3)
(1)Department of Earth Sciences, 1272 University of Oregon, Eugene OR 97403
(2)Marine Chemistry and Geochemistry Department, Woods Hole Oceanographic Institution, Woods Hole, MA 02543
(3)U.S. Geological Survey, David A. Johnston Cascades Volcano Observatory, 1300 SE Cardinal Court, Vancouver, WA 98683 
*corresponding author: mike.r.hudak@gmail.com


Description: These data correspond to the article “Hydrogen isotope behavior during rhyolite glass hydration under hydrothermal conditions” by Hudak et al. submitted to Geochimica et Cosmochimica Acta. Tables 1 and 2 are the data presented in the manuscript. Tables S1-S6 are the Supplementary Data. In addition to the csv data files, the formatted Supplementary Data files are provided in an Excel Workbook. This repository also includes our MATLAB code containing our isotope diffusion-reaction model.
Table 1 presents the initial geochemical compositions of the various rhyolitic glasses used in the hydration experiments.
Table 2 includes all experimental H2O and dD results.
Table S1 contains the list of rhyolitic glass hydration experiments, the materials used, and the experiment temperatures and durations. 
Table S2 includes the water vapor and liquid water isotopic compositions for the isochoric experiments calculated from steam tables.
Table S3 presents energy-dispersive X-ray spectroscopy (EDX) data for spots on the surfaces of experimental glasses.
Table S4 contains Fourier transform infrared spectroscopy (FTIR) H2O concentration data for glasses produced in the rock mechanics experiments by Proctor et al. (2017).
Table S5 describes the parameters in our isotope diffusion-reaction model.
Table S6 presents the boundary conditions and assumptions used for the model results presented in the manuscript figures.


Data files:
Hudak_etal_GCA_Table_1.csv
Table 1. Major element compositions of initial experimental glass as measured by EMPA, previously reported in the Supplementary Data of Bindeman and Lowenstern (2016) and Hudak and Bindeman (2020). The HSR is 08-YS-07 in Loewen et al. (2017) and the perlites are YS-13 in Bindeman and Lowenstern (2016). NBO/T ratios are calculated with normalized major element compositions. Totals reported here do not include Cl, F, or H2O. Yellowstone glasses use an Fe3+/Fetotal of 0.15 for an fO2 of NNO - 0.7 appropriate for hotspot settings. LSR calculations use an fO2 of NNO + 0.8 and an Fe3+/Fetotal of 0.25 appropriate for arc settings.

Hudak_etal_GCA_Table_2.csv
Table 2. Total H2O and δD data for expermental glasses. Errors for δD are <3‰ (1σ, n = 3-5) for standards USGS57 and USGS58. Italicized H2Ot concentrations are from Hudak and Bindeman (2020). See Table A.2 for vapor δD compositions. aThe smallest, non-abraded particle sizes could not be measured, so the range of radii given is half of the sieve fraction (53-105 μm) for these particles. †Reverse experiments use Fairbanks H2O with a δD of −152.3‰.

Hudak_etal_GCA_Table_S1.csv
Table S1. Experimental materials, conditions, and durations for reported hydration results. Nolan-Fiji water (δD = +75.6‰) refers to a mixture of high δD and δ18O (reported in Nolan and Bindeman, 2013) and a internal laboratory standard (FIJI Water®). Fairbanks tap water (δD = −152.3‰) is another internal laboratory standard. Deuterated water refers to a 1:1 mixture of D2O and H2O, which was used only for NanoSIMS work (Hudak and Bindeman, 2020).

Hudak_etal_GCA_Table_S2.csv
Table S2. Temperature and pressure conditions of experiments and resulting vapor and liquid δD and δ18O compositions. The pressures, densities, and mass fractions were taken or calculated from steam tables. Fractionation factors (1000lnα) come from Horita and Wesolowski (1994). The experimental vessel is a closed system, so vapor and liquid δD and δ18O compositons were calculated from the initial H2O δD and δ18O compositions, liquid-vapor fractionation, and the mass fractions of each phase. Bolded compositions represent the vapor hydration source and composition. *H2O is a single phase at this temperature.

Hudak_etal_GCA_Table_S3.csv
Table S3. Semi-quantitative EDX data of glass surfaces for representative samples from glass hydration experiments at all temperatures. Data are presented in Fig. 10. 

Hudak_etal_GCA_Table_S4.csv
Table S4. Data from the experimental run products Proctor et al. (2017) used in Fig. 11. H2Om and OH− concentrations of glasses formed in 300°C shearing experiments with wet rhyolitic fault gouge. See Proctor et al. (2017) for experimental details and FTIR methods.

Hudak_etal_GCA_Table_S5.csv
Table S5. Reaction, diffusion, and isotope parameters for the 1D diffusion-reaction model.

Hudak_etal_GCA_Table_S6.csv
Table S6. Initial and boundary conditions for the model fits in Fig. 12 and in *Fig. S2. A is a prefactor assigned to H2Om diffusivity and the equilibrium H2Ot at the boundary are taken from H2Ot diffusivity and solubility constraints in Hudak and Bindeman (2020). The δD of glass is prescribed at the boundary to calculate the equilibrium αH2Om-vapor, which is then held constant for Fig. 12, but allows the bulk δD at the boundary to evolve. For Fig. S2, a time-δD relationship is prescribed at the boundary equal to the best fit polynomial to the raw data. The relationships for 275°Ca and 375°Cb are as follows: a) δDBC = (2.679E-4)t^2 - 0.2474t + 21.7; and b) δDBC = (1.727E-3)t^3 - 0.1232t^2 + 3.804t - 101.9, where time (t) is in hours and δD is in ‰.

Hudak_etal_GCA_SM_2022.xlsx
Contains all Supplementary Figures and Tables with formatting.

MATLAB code:
Hudak_etal_GCA_diff_rxn_code.m